2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide

C26H17ClFN7O — CID 118537214

About 2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide

2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide (PubChem CID 118537214) has the molecular formula C26H17ClFN7O and a molecular weight of 497.92 g/mol. Its IUPAC name is 2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide
• PubChem CID: 118537214
• Molecular Formula: C26H17ClFN7O
• Molecular Weight: 497.92 g/mol
• Exact Mass: 497.12
• IUPAC Name: 2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide
• SMILES: Cn1cc(-c2ccc3nc(NC(=O)c4cc(Cl)nc5ccccc45)cn3n2)c(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C26H17ClFN7O/c1-34-13-19(25(33-34)15-6-8-16(28)9-7-15)21-10-11-24-30-23(14-35(24)32-21)31-26(36)18-12-22(27)29-20-5-3-2-4-17(18)20/h2-14H,1H3,(H,31,36)
• InChIKey: DIJIKLRELOTQQT-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.92
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide?

The IUPAC name of 2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide (CID 118537214) is 2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide.

What is the SMILES notation for 2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide?

The canonical SMILES for 2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide is Cn1cc(-c2ccc3nc(NC(=O)c4cc(Cl)nc5ccccc45)cn3n2)c(-c2ccc(F)cc2)n1.

What is the InChIKey of 2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide?

The InChIKey is DIJIKLRELOTQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClFN7O/c1-34-13-19(25(33-34)15-6-8-16(28)9-7-15)21-10-11-24-30-23(14-35(24)32-21)31-26(36)18-12-22(27)29-20-5-3-2-4-17(18)20/h2-14H,1H3,(H,31,36).

What are the key properties of 2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide?

2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide has a molecular weight of 497.92 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 118537214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).